- InChI
- InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
- InChI Key
- DWYFUJJWTRPARQ-UHFFFAOYSA-N
- Formula
- C11H8OS
- SMILES
- O=C(c1ccccc1)c1cccs1
- Molecular Weight1
- 188.25
- CAS
- 135-00-2
- Other Names
-
- Ketone, phenyl 2-thienyl
- «alpha»-Benzoylthiophene
- Phenyl 2-thienyl ketone
- 2-Benzoylthiophene
- 2-Thienyl phenyl ketone
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4594 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 52.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 ± 0.10 | eV | NIST |
| log10WS | -3.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.979 | Crippen Calculated Property | |
| McVol | 140.550 | ml/mol | McGowan Calculated Property |
| Pc | 3567.81 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | [573.00; 573.20] | K |
|
| Tboil | 573.20 | K | NIST |
| Tboil | 573.00 | K | NIST |
| Tc | 830.03 | K | Relay (1.0) Calculated Property |
| Tfus | 329.80 ± 0.20 | K | NIST |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 414.50 ± 0.50 | K | 0.40 | NIST |
Similar Compounds
Find more compounds similar to Methanone, phenyl-2-thienyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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